摘要
通过Bravais-Freidel-Donnay-Harker(BFDH法)和growth morphology(生长形态法)方法,研究了高氯酸碳酰肼锰、高氯酸碳酰肼铁、高氯酸碳酰肼钴、高氯酸碳酰肼镍和高氯酸碳酰肼镉的晶体生长形态。结果表明,这5种化合物的晶形均接近长块状,在(101)和(002)晶面的相对生长速度最小,为晶体的最重要的生长方向。根据晶体的主要生长晶面,推断出官能团中具有活性氢原子的晶形控制剂可以有效地控制晶形。此外,通过实验合成这5中配合物,并用冷场发射扫描电子显微镜观察其晶体形貌,通过对比表明growth morphology的模拟结果更接近实验所得形貌,因此该方法可以更可靠地预测高氯酸碳酰肼金属配合物的晶体形态。
The crystal growth morphologies of manganese carbohydrazide perchlorate, iron carbohydrazide perchlorate, cobalt carbohydrazide perchlorate, nickel carbohydrazide perchlorate and cadmium carbohydrazide perchlorate were investigated by Bravais-FreideI-Donnay-Harker (BFDH) and growth morphology method. The results show that the crystal morphologies of them are close to oblong block shapes, and the growth on (107) and (002) faces are the most important growth direction because of the minimum relative growth rates. According to the cleaved main growth faces, it can be inferred that crystal-control reagents with the active hydrogen atoms in the functional groups can effectively control the crystal morphology for them. In addition, the experimental morphologies of them were synthesized and observed by a coldfield-emission scanning electron microscope. It is concluded that AE model are nearer to experimental morphology, and more reliable to predict crystal morphologies for carbohydrazide perchlorates.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
2017年第12期2463-2479,共17页
Acta Physico-Chimica Sinica
基金
supported bythe State Key Laboratory of Explosion Science and Technology,China(YB2016-17)
the National Natural Science Foundation of China(11672040)~~
关键词
晶体形貌
预测
附着能
生长速率
Crystal morphology
Prediction
Attachment energy
Growth rate